8TFS

Crystal structure of the Rhodanese-like domain of Vretifemale_1082 from Volvox reticuliferus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-14
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.72932
Spacegroup name	P 31 2 1
Unit cell lengths	66.390, 66.390, 141.390
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	53.260 - 1.950
R-factor	0.1879
Rwork	0.185
R-free	0.20960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	0.904
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.500	2.020
High resolution limit [Å]	1.950	1.950
Rmerge	0.084	0.846
Rmeas	0.089	0.890
Rpim	0.028	0.276
Number of reflections	50761	2645
<I/σ(I)>	14.03	1.77
Completeness [%]	99.9	99.77
Redundancy	9.8	10.1
CC(1/2)	0.999	0.900

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M L-Proline, 0.1 M HEPES pH 7.5, 10% PEG3350. Cryoprotectant: 0.2 M L-Proline, 0.1 M HEPES pH 7.5, 23% PEG3350, 5% PEG400